4,5-diamino-2-phenyl-1H-pyrimidin-6-one

C10H10N4O — CID 135401368

IUPAC4,5-diamino-2-phenyl-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccccc2)[nH]c(=O)c1N
InChIInChI=1S/C10H10N4O/c11-7-8(12)13-9(14-10(7)15)6-4-2-1-3-5-6/h1-5H,11H2,(H3,12,13,14,15)
InChIKeyPSWVDOCXVLXVRS-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.60
Rot. Bonds1

About 4,5-diamino-2-phenyl-1H-pyrimidin-6-one

4,5-diamino-2-phenyl-1H-pyrimidin-6-one (PubChem CID 135401368) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 4,5-diamino-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-diamino-2-phenyl-1H-pyrimidin-6-one
PubChem CID135401368
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name4,5-diamino-2-phenyl-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccccc2)[nH]c(=O)c1N
InChIInChI=1S/C10H10N4O/c11-7-8(12)13-9(14-10(7)15)6-4-2-1-3-5-6/h1-5H,11H2,(H3,12,13,14,15)
InChIKeyPSWVDOCXVLXVRS-UHFFFAOYSA-N
XLogP0.60
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4,5-diamino-2-phenyl-1H-pyrimidin-6-one (CID 135401368) is 4,5-diamino-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-diamino-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-diamino-2-phenyl-1H-pyrimidin-6-one is Nc1nc(-c2ccccc2)[nH]c(=O)c1N.
What is the InChIKey of 4,5-diamino-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is PSWVDOCXVLXVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c11-7-8(12)13-9(14-10(7)15)6-4-2-1-3-5-6/h1-5H,11H2,(H3,12,13,14,15).
What are the key properties of 4,5-diamino-2-phenyl-1H-pyrimidin-6-one?
4,5-diamino-2-phenyl-1H-pyrimidin-6-one has a molecular weight of 202.22 g/mol, XLogP of 0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135401368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).